Vitas-M small molecule compound
2-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STK216412
SMILES O=C1NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C(=O)O)CCCC3)C)C(=O)N1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-9-7-11(8-13-16(24)21-20(28)22-17(13)25)10(2)23(9)18-15(19(26)27)12-5-3-4-6-14(12)29-18/h7-8H,3-6H2,1-2H3,(H,26,27)(H2,21,22,24,25,28)InChIKey
WQJDGCZCTPXIEX-UHFFFAOYSA-NSynonyms
2(25dimethyl3((246trioxo13diazinan5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylicacid
2(25dimethyl3((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylicacid
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=C4C(=O)NC(=O)NC4=O
InChI=1SC20H19N3O5Sc19711(81316(24)2120(28)2217(13)25)10(2)23(9)1815(19(26)27)12534614(12)2918h78H36H212H3(H2627)(H22122242528)
MFCD08676741
ZINC000004813677
ZINC4813677
Check stock
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